N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide

C16H25NO — CID 2423706

IUPACN-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
SMILESCC(C)CCC[C@@H](C)NC(=O)Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-13(2)8-7-9-14(3)17-16(18)12-15-10-5-4-6-11-15/h4-6,10-11,13-14H,7-9,12H2,1-3H3,(H,17,18)/t14-/m1/s1
InChIKeyODZLPBUMLCMIMI-CQSZACIVSA-N
MW247.38 g/mol
LogP3.56
Rot. Bonds7

About N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide

N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide (PubChem CID 2423706) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
PubChem CID2423706
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
SMILESCC(C)CCC[C@@H](C)NC(=O)Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-13(2)8-7-9-14(3)17-16(18)12-15-10-5-4-6-11-15/h4-6,10-11,13-14H,7-9,12H2,1-3H3,(H,17,18)/t14-/m1/s1
InChIKeyODZLPBUMLCMIMI-CQSZACIVSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride
CID 119673337
2-benzylsulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 4051630
N-(1-cyanopropan-2-yl)-2-phenylacetamide
CID 55211217
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
2-(3,5-dichloro-4-hydroxyphenyl)-N-(6-methylheptan-2-yl)acetamide
CID 22932338
3-acetamido-N-(6-methylheptan-2-yl)-3-phenylpropanamide
CID 78781741
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
2-phenyl-N-[1-[(2-phenylacetyl)amino]pentyl]acetamide
CID 71451972
2-(4-bromophenyl)-N-(5-methylhexan-2-yl)acetamide
CID 112789358
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide?
The IUPAC name of N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide (CID 2423706) is N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide is CC(C)CCC[C@@H](C)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide?
The InChIKey is ODZLPBUMLCMIMI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(2)8-7-9-14(3)17-16(18)12-15-10-5-4-6-11-15/h4-6,10-11,13-14H,7-9,12H2,1-3H3,(H,17,18)/t14-/m1/s1.
What are the key properties of N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide?
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide has a molecular weight of 247.38 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 2423706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).